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CAS 17720-64-8 1,3-dioxoisoindolin-2-yl acetate molecular structure lightbox
CAS RN: 17720-64-8

1,3-dioxoisoindolin-2-yl acetate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 100g In stock Chengdu Inquiry
Batchno.20251225 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260528 25g Out of stock Inquiry
Batchno.20250711 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-077470
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17720-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

17720-64-8 / (1,3-dioxoisoindol-2-yl) acetate

Standard CAS: 17720-64-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17720-64-8
Multi CAS
No
Molecular Formula
C10H7NO4
Molecular Weight
205.170000
Exact Mass
205.037508
SMILES
CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C10H7NO4/c1-6(12)15-11-9(13)7-4-2-3-5-8(7)10(11)14/h2-5H,1H3
InChIKey
IJRNYIWWGDQEIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.71
TPSA
63.68

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
1.4
Consensus LogP
0.94
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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